Cas no 1781740-66-6 (tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate)

Technical Introduction: tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate is a protected pyrrolidine derivative featuring a cyanoethyl substituent at the 2-position and a Boc (tert-butoxycarbonyl) protecting group on the nitrogen. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules. The Boc group ensures selective deprotection under mild acidic conditions, while the cyanoethyl moiety offers reactivity for further functionalization. Its stability and well-defined reactivity profile make it valuable for constructing complex heterocyclic frameworks. The compound is typically handled under inert conditions to preserve its integrity. Suitable for use in peptide chemistry and medicinal chemistry applications, it provides a reliable route to modified pyrrolidine scaffolds.
tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate structure
1781740-66-6 structure
Product Name:tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
CAS No:1781740-66-6
MF:C12H20N2O2
MW:224.299403190613
MDL:MFCD28646847
CID:3164887
PubChem ID:84068773
Update Time:2025-10-29

tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
    • AS-52731
    • CS-0048469
    • SY100252
    • P15559
    • EN300-1877993
    • 1-Boc-2-(1-Cyanoethyl)pyrrolidine
    • tert-Butyl2-(1-cyanoethyl)pyrrolidine-1-carboxylate
    • SB40803
    • 1-Pyrrolidinecarboxylic acid, 2-(1-cyanoethyl)-, 1,1-dimethylethyl ester
    • 1781740-66-6
    • MFCD28646847
    • AKOS023830444
    • MDL： MFCD28646847
    • Inchi： 1S/C12H20N2O2/c1-9(8-13)10-6-5-7-14(10)11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3
    • InChI Key： RWMFSSOBMVTXJK-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCCC1C(C#N)C)=O

Computed Properties

  • Exact Mass: 224.152477885g/mol
  • Monoisotopic Mass: 224.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 311
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 53.3?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 336.0±15.0 °C at 760 mmHg
  • Flash Point: 157.0±20.4 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate Security Information

tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B872345-50mg
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6
50mg
 $ 50.00 2022-06-06
TRC
B872345-100mg
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6
100mg
 $ 70.00 2022-06-06
TRC
B872345-500mg
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6
500mg
 $ 250.00 2022-06-06
Chemenu
CM326369-1g
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6 95%+
1g
 $194 2021-06-09
Chemenu
CM326369-5g
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6 95%+
5g
 $485 2021-06-09
Chemenu
CM326369-10g
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6 95%+
10g
 $808 2021-06-09
Chemenu
CM326369-25g
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6 95%+
25g
 $1617 2021-06-09
Chemenu
CM326369-50g
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
 1781740-66-6 95%+
50g
 $2587 2021-06-09
eNovation Chemicals LLC
D552514-1G
TERT-BUTYL 2-(1-CYANOETHYL)PYRROLIDINE-1-CARBOXYLATE
 1781740-66-6 95%
1g
 $120 2024-07-21
eNovation Chemicals LLC
D552514-5G
TERT-BUTYL 2-(1-CYANOETHYL)PYRROLIDINE-1-CARBOXYLATE
 1781740-66-6 95%
5g
 $270 2024-07-21

tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate Related Literature

Additional information on tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate

Comprehensive Overview of tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate (CAS No. 1781740-66-6)

The compound tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate (CAS No. 1781740-66-6) is a highly specialized pyrrolidine derivative with significant applications in pharmaceutical and organic synthesis. Its unique structure, featuring a cyanoethyl group and a tert-butyl carboxylate moiety, makes it a valuable intermediate for the development of bioactive molecules. Researchers and industry professionals frequently search for this compound due to its relevance in drug discovery, peptide modification, and asymmetric synthesis.

In recent years, the demand for pyrrolidine-based building blocks like tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate has surged, driven by advancements in small-molecule therapeutics and proteolysis-targeting chimeras (PROTACs). This compound’s versatility aligns with trending topics such as fragment-based drug design (FBDD) and covalent inhibitor development, addressing common search queries like "best pyrrolidine derivatives for medicinal chemistry" or "how to modify peptides with cyano groups."

The synthesis of tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate typically involves N-Boc protection of pyrrolidine followed by alkylation with acrylonitrile derivatives. Its stereochemistry and functional group compatibility are critical for applications in chiral auxiliaries and catalysis. Analytical techniques like HPLC, NMR, and mass spectrometry are essential for quality control, ensuring compliance with Good Manufacturing Practices (GMP) for pharmaceutical use.

Environmental and safety considerations are also pivotal. While not classified as hazardous, proper handling of nitrile-containing compounds like this one requires adherence to laboratory safety protocols. Users often search for "safe handling of cyanoethyl derivatives" or "storage conditions for tert-butyl carboxylates," reflecting growing awareness of green chemistry principles.

In summary, tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate (CAS No. 1781740-66-6) bridges cutting-edge research and industrial applications, answering key questions in organic synthesis and drug development. Its role in emerging fields like bioconjugation and targeted protein degradation ensures its continued relevance in scientific literature and patent filings.

1781740-66-6 (tert-Butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate) Related Products

Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.